N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine

C32H29F6NP2 — CID 140850127

IUPACN-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1)P1C(c2ccccc2)CCC1c1ccccc1
InChIInChI=1S/C32H29F6NP2/c1-2-3-16-39(41-29(21-10-6-4-7-11-21)14-15-30(41)22-12-8-5-9-13-22)40(23-17-25(33)31(37)26(34)18-23)24-19-27(35)32(38)28(36)20-24/h4-13,17-20,29-30H,2-3,14-16H2,1H3
InChIKeyGYZMRMVCUDYVJJ-UHFFFAOYSA-N
MW603.53 g/mol
LogP9.64
Rot. Bonds9

About N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine

N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine (PubChem CID 140850127) has the molecular formula C32H29F6NP2 and a molecular weight of 603.53 g/mol. Its IUPAC name is N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound NameN-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
PubChem CID140850127
Molecular FormulaC32H29F6NP2
Molecular Weight603.53 g/mol
Exact Mass603.17
IUPAC NameN-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1)P1C(c2ccccc2)CCC1c1ccccc1
InChIInChI=1S/C32H29F6NP2/c1-2-3-16-39(41-29(21-10-6-4-7-11-21)14-15-30(41)22-12-8-5-9-13-22)40(23-17-25(33)31(37)26(34)18-23)24-19-27(35)32(38)28(36)20-24/h4-13,17-20,29-30H,2-3,14-16H2,1H3
InChIKeyGYZMRMVCUDYVJJ-UHFFFAOYSA-N
XLogP9.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.53
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344325
(2R,5S)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 134344067
(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344248
(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
CID 139332412
(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine
CID 138466209
N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine
CID 140850176
(2S,5S)-N-bis(2,3-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,6-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(4-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;chromium
CID 157202157
(2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 138466205
(2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine
CID 148956825
(2R,5R)-N-butyl-N-[(3-tert-butyl-4-methoxyphenyl)-(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 162243387
(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane
CID 157448655
(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine
CID 161127303

Frequently Asked Questions

What is the IUPAC name of N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine (CID 140850127) is N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine is CCCCN(P(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1)P1C(c2ccccc2)CCC1c1ccccc1.
What is the InChIKey of N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The InChIKey is GYZMRMVCUDYVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F6NP2/c1-2-3-16-39(41-29(21-10-6-4-7-11-21)14-15-30(41)22-12-8-5-9-13-22)40(23-17-25(33)31(37)26(34)18-23)24-19-27(35)32(38)28(36)20-24/h4-13,17-20,29-30H,2-3,14-16H2,1H3.
What are the key properties of N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine has a molecular weight of 603.53 g/mol, XLogP of 9.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 140850127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).